5-azanyl-4-[[3-azanyl-5-(hydroxymethyl)-1H-pyrazol-4-yl]imino]-2-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 5-azanyl-4-[[3-azanyl-5-(hydroxymethyl)-1H-pyrazol-4-yl]imino]-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 5-amino-4-[[3-amino-5-(hydroxymethyl)-1H-pyrazol-4-yl]imino]-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 5-amino-4-[[3-amino-5-(hydroxymethyl)-1H-pyrazol-4-yl]imino]-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 5-amino-4-[[3-amino-5-(hydroxymethyl)-1H-pyrazol-4-yl]imino]-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 5-amino-4-[(3-amino-5-methylol-1H-pyrazol-4-yl)imino]-2-methyl-cyclohexa-2,5-dien-1-one Formula: C11H13N5O2 MolecularWeight: 247.25322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(NN=C2N)CO)C(=CC1=O)N

Isomeric SMILES

CC1=CC(=NC2=C(NN=C2N)CO)C(=CC1=O)N

InChI

InChI=1S/C11H13N5O2/c1-5-2-7(6(12)3-9(5)18)14-10-8(4-17)15-16-11(10)13/h2-3,17H,4,12H2,1H3,(H3,13,15,16)